extract() implementation for dihedral helix

2025-04-07 11:20:53 +02:00
parent 7655a4cb84
commit e93709d34e
4 changed files with 20 additions and 1 deletions
--- a/unittest/force-styles/tests/dihedral-helix.yaml
+++ b/unittest/force-styles/tests/dihedral-helix.yaml
@ -16,7 +16,10 @@ dihedral_coeff: ! |
  3  56 10 32
  4  23 80 61
  5  19 90 13
-extract: ! ""
+extract: ! |
+  a 1
+  b 1
+  c 1
 natoms: 29
 init_energy: 4634.436545707672
 init_stress: ! |-